Geometry & MOs

Info

ID:	419821
PubChem CID:	135109191
Reduced:	ClON4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-2.12
Dipole, Da:	4.15
IP(EA), eV:	-8.68(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations